Chan Kyung Kim

发表

Barrier effect of dendrons on TiO2 particles in dye sensitized solar cells.

Y. Kang, J. Won, Bong-Kwan Shin, 2011, Chemical communications.

Modeling studies on the uptake of hydrogen molecules by graphene

Chang Kon Kim, Soojin Park, Chan Kyung Kim, 2015, Journal of Molecular Modeling.

Prediction of cellulose dissolution in ionic liquids using molecular descriptors based QSAR model

Sang Hyun Lee, Y. Koo, N. Mai, 2016 .

Effects of the basis set superposition error on optimized geometries of trimer complexes (Part I)

Chang Kon Kim, J. Won, Chan Kyung Kim, 2012 .

Prediction of Crystal Density and Explosive Performance of High-Energy-Density Molecules Using the Modified MSEP Scheme

Chang Kon Kim, S. Cho, Chan Kyung Kim, 2016 .

Theoretical studies on the reaction of vinylformate with the hydroxide ion

Ikchoon Lee, Chan Kyung Kim, T. Ha, 1990 .

Receptor-based 3D QSAR studies on PPARγ agonists using CoMFA and CoMSIA approaches

Chan Kyung Kim, Bon-Su Lee, Kwan Hoon Hyun, 2004 .

Theoretical Studies on the Gas-Phase Wolff Rearrangement of Ketocarbenes

Ikchoon Lee, Chan Kyung Kim, 1997 .

Synthesis, Biological Evaluation, and 3D-QSAR Studies of N-(Substituted pyridine-4-yl)-1-(substituted phenyl)-5-trifluoromethyl-1H-pyrazole-4-carboxamide Derivatives as Potential Succinate Dehydrogenase Inhibitors.

Song Yang, Zhibing Wu, Jingxin Yang, 2021, Journal of agricultural and food chemistry.

Density Functional Theory Studies on the Reaction Mechanisms of Silver Ions with Ethylene in Facilitated Transport Membranes: A Modeling Study

Chang Kon Kim, Y. Kang, J. Won, 2001 .

Furanone derivatives as quorum-sensing antagonists of Pseudomonas aeruginosa

Joon-Hee Lee, Jeyong Yoon, Hee-Jin Park, 2008, Applied Microbiology and Biotechnology.

Characterization of DNA/poly(ethylene imine) electrolyte membranes

J. Won, Chan Kyung Kim, Jin Kyoung Park, 2007 .

An ab initio study of ionic liquid silver complexes as carriers in facilitated olefin transport membranes

Chang Kon Kim, H. Kim, Y. Kang, 2005 .

Stimuli-responsive cyclometalated platinum complex bearing bent molecular geometry for highly efficient solution-processable OLEDs

Shuai Tan, Yafei Wang, Lin Wang, 2020 .

Computational Studies on the Reaction from Silyl 1,4-Dilithio 1,3-butadiene to Lithio Silole

Chang Kon Kim, Ahmed A. K. Mohammed, Chan Kyung Kim, 2016 .

A Theoretical Study on the Mechanism of Methylation of N‐methylaniline with CO2 and Silyl Hydrides

Chan Kyung Kim, Weiyi Li, 2017 .

Trienamine catalysis for asymmetric Diels-Alder reactions of 2,4-dienones: a theoretical investigation.

Z. Su, Chan Kyung Kim, 2015, Organic & biomolecular chemistry.

DFT investigation of C–H bond activation of malononitrile in the presence of amines

Z. Su, Chan Kyung Kim, 2013 .

Role of bifunctional catalyst 2-pyridone in the aminolysis of p-nitrophenyl acetate with n-butylamine: A computational study

Ying Xue, Xiao-qiang Liu, Chan Kyung Kim, 2012 .

Theoretical investigation on mechanism of asymmetric Michael addition of malononitrile to chalcones catalyzed by Cinchona alkaloid aluminium(III) complex.

H. Lee, Z. Su, Chan Kyung Kim, 2011, Organic & biomolecular chemistry.

Theoretical studies on the gas-phase pyrolysis of 2-trimethylsilylethanol

Ying Xue, Yong Wu, Chan Kyung Kim, 2010 .

Theoretical Studies on the Addition Reactions of Ketene with NH3 in the Gas Phase and in Non-Aqueous Solutions

Chang Kon Kim, H. Lee, Chan Kyung Kim, 2008 .

Computational studies on the dimers and the thermal dimerization of norbornadiene

Ying Xue, Chan Kyung Kim, Yong Wu, 2008, J. Comput. Chem..

Antiobesity Effect of SA37 in High‐Fat Diet‐induced Obese C57BL/6J Mice

Hyeongjin Cho, Chan Kyung Kim, B. Park, 2016 .

Basis Set Superposition Error on Structures and Complexation Energies of Organo-Alkali Metal Iodides

Chang Kon Kim, J. Won, Hui Zhang, 2010 .

A choline chloride-acrylic acid deep eutectic solvent polymer based on Fe3O4 particles and MoS2 sheets (poly(ChCl-AA DES)@Fe3O4@MoS2) with specific recognition and good antibacterial properties for β-lactoglobulin in milk.

T. Zhu, Liteng Li, Baokun Tang, 2019, Talanta.

Asymmetric Cyanation of Activated Olefins with Ethyl Cyanoformate Catalyzed by Ti(IV)-Catalyst: A Theoretical Study

Changwei Hu, Z. Su, Chan Kyung Kim, 2020, Catalysts.

Theoretical Studies on the Competitive S N2 Reactions of O-Imidomethyl Derivatives of Phenols with OH -

Chang Kon Kim, Ikchoon Lee, Yeong-Jin Chung, 2001 .

Transmission of Substituent Effects through 5-Membered Heteroaromatic Rings

Chang Kon Kim, Ikchoon Lee, Chan Kyung Kim, 2000 .

Transmission of Substituent Effects through Five-Membered Heteroaromatic Rings, II. Deprotonation Equilibria of Phenol Analogues

Chang Kon Kim, Ikchoon Lee, Chan Kyung Kim, 2000 .

Transmission of Substituent Effects through Five-Membered Heteroaromatic Rings. III. Addition Equilibria of Hydroxide Anion to Benzaldehyde Analogues

Chang Kon Kim, Ikchoon Lee, Chan Kyung Kim, 2000 .

Theoretical studies on the reaction of vinylformate with the hydroxide ion

Ikchoon Lee, Chan Kyung Kim, T. Ha, 1990 .

Nucleophilic substitution reactions of α-chloroacetanilides with pyridines in dimethyl sulfoxide

S. Dey, H. Lee, Chan Kyung Kim, 2005 .

Secondary hydrogen/deuterium isotope effects in methyl-transfer reactions decrease with increasing looseness of the transition structure

Chan Kyung Kim, S. Wolfe, 1991 .

Theoretical Studies on the Hydride Ion Affinities of Carbocations

Chang Kon Kim, Chan Kyung Kim, Kyung A Lee, 2004 .

Effect of acidity and structure on the anhydrous proton conduction of acid-doped inorganic–organic hybrid membranes

Y. Kang, J. Won, Chan Kyung Kim, 2010 .

A water-stable zinc(ii)-organic framework as a multiresponsive luminescent sensor for toxic heavy metal cations, oxyanions and organochlorine pesticides in aqueous solution.

F. Su, Doudou Feng, Chan Kyung Kim, 2019, Dalton transactions.

Comprehensive Studies on the Free Energies of Solvation and Conformers of Glycine: A Theoretical Study

H. Lee, Chan Kyung Kim, B. Park, 2011 .

Direct catalytic conversion of glucose and cellulose

B. Cheng, X. Yao, Dongjiang Yang, 2018 .

Theoretical Study of Phosphoryl Transfer Reactions

H. Lee, Chan Kyung Kim, I. Han, 2011 .

Fluoride indicator that functions in mixed aqueous media: hydrogen bonding effects

Chan Kyung Kim, Jungseok Heo, In-Ho Ahn, 2012 .

Theoretical Studies of the Gas-Phase Identity Nucleophilic Substitution Reactions of Cyclopentadienyl Halides

Chang Kon Kim, H. Lee, Ikchoon Lee, 2003 .

INTRINSIC BARRIERS FOR IMBALANCED VERSUS BALANCED TRANSITION STRUCTURES

Chang Kon Kim, Chan Kyung Kim, Ik-Mo Lee, 1999 .

Theoretical studies on the transition‐state imbalance in malononitrile anion‐forming reactions in the gas phase and in water

Chang Kon Kim, H. Lee, Ikchoon Lee, 1997 .

NBO analyses of the back-bonding in metal-olefin complexes

Chang Kon Kim, H. Lee, Chan Kyung Kim, 2004 .

Kinetics and Mechanism of the Aminolysis of Dimethyl Thiophosphinic Chloride with Anilines

H. Lee, Chan Kyung Kim, N. Dey, 2009 .

Kinetics and mechanism of the anilinolysis of dimethyl and diethyl chloro(thiono)phosphates

H. Lee, Chan Kyung Kim, N. Dey, 2008 .

Substituent effects on the gas-phase pyrolyses of 2-substituted ethyl N,N-dialkylcarbamates : A theoretical study

Chang Kon Kim, Hui Zhang, H. Lee, 2007 .

Effects of substituents and solvents on the reactions of iminophosphorane with formaldehyde: Ab initio MO calculation and Monte Carlo simulation

Ying Xue, Chan Kyung Kim, 2003 .

Synthesis of Novel Palladium Complexes Containing β‐Diketonate and NHC Ligands and their Catalytic Ability for Addition Polymerizations of the Functional Norbornenes

Myungwoong Kim, Chan Kyung Kim, Ik-Mo Lee, 2019, Bulletin of the Korean Chemical Society.

Kinetics and mechanism of the aminolysis of aryl ethyl chloro and chlorothio phosphates with anilines.

H. Lee, Chan Kyung Kim, N. Dey, 2007, Organic & biomolecular chemistry.

Structure-antioxidant activity relationship of methoxy, phenolic hydroxyl, and carboxylic acid groups of phenolic acids

Chan Kyung Kim, Jing Yang, Jun Li, 2020, Scientific Reports.

Copolymerization of Functional Norbornenes Catalyzed by Pd Complexes: Is it Living?

Myungwoong Kim, Chan Kyung Kim, Ik-Mo Lee, 2020 .

Mechanism and Selectivity of Cyclopropanation of 3-Alkenyl-oxindoles with Sulfoxonium Ylides Catalyzed by a Chiral N,N'-Dioxide-Mg(II) Complex.

Changwei Hu, Z. Su, Yan Zhang, 2021, The Journal of organic chemistry.

Asymmetric 1,4‐Michael Addition Reactions Catalyzed by a Cinchona Alkaloid Derived Primary Amine: A Theoretical Investigation of the Reaction Mechanism and Enantioselectivity

H. Lee, Z. Su, Chan Kyung Kim, 2013 .

High Level ab Initio Study of Thermal 1,3-Sigmatropic Shift in CH2CHCH2X with X = BH2, NH2, and CH3

Chang Kon Kim, Ikchoon Lee, J. Choi, 2002 .

Anion complexation by calix[4]pyrrole in solid polymer electrolytes

Chang Kon Kim, Y. Kang, J. Won, 2006 .

Concurrent primary and secondary deuterium kinetic isotope effects in anilinolysis of O-aryl methyl phosphonochloridothioates.

H. Lee, A. Guha, Chan Kyung Kim, 2009, Organic & biomolecular chemistry.

Molecular simulation of liquid crystal sensor based on competitive inclusion effect

Chan Kyung Kim, Fang Zuo, Jun-Xian Chen, 2017, Journal of Inclusion Phenomena and Macrocyclic Chemistry.

Modeling of Inhibition Mechanism of Natural Ligands to Farnesyl Protein Transferase Using Molecular Docking

Chan Kyung Kim, B. Kwon, N. Sung, 2003 .

Activation of formyl C H and hydroxyl O H bonds in HMF by the CuO(1 1 1) and Co3O4(1 1 0) surfaces: A DFT study

Kai Song, Zhenhua Li, Jun Ren, 2018, Applied Surface Science.

Kinetics and Mechanism of the Pyridinolyses of Dimethyl Phosphinic and Thiophosphinic Chlorides in Acetonitrile

H. Lee, Chan Kyung Kim, K. K. Adhikary, 2010 .

Kinetics and mechanism of the pyridinolyses of dimethyl and diethyl chloro(thiono)phosphates in acetonitrile

H. Lee, Chan Kyung Kim, N. Dey, 2010 .

Quantum mechanics study and Monte Carlo simulation on the hydrolytic deamination of 5-methylcytosine glycol.

Ying Xue, Zeqin Chen, Chan Kyung Kim, 2011, Physical chemistry chemical physics : PCCP.

Comparative studies on the reactions of acetyl and thioacetyl halides with NH3 in the gas phase and in aqueous solution: a theoretical study.

Chang Kon Kim, H. Lee, Chan Kyung Kim, 2011, The journal of physical chemistry. A.

Pyridinolysis of O,O-Diphenyl S-Phenyl Phosphorothiolates in Acetonitrile

H. Lee, Chan Kyung Kim, K. K. Adhikary, 2008 .

Kinetics and mechanism of the pyridinolysis of N-aryl-P,P-diphenyl phosphinic amides in dimethyl sulfoxide

H. Lee, A. Guha, Chan Kyung Kim, 2011 .

Pyridinolysis of Diethyl Phosphinic Chloride in Acetonitrile

H. Lee, Chan Kyung Kim, N. Dey, 2011 .

Kinetics and mechanism of the anilinolyses of aryl dimethyl, methyl phenyl and diphenyl phosphinates.

H. Lee, Chan Kyung Kim, N. Dey, 2011, Organic & biomolecular chemistry.

Kinetics and mechanism of the aminolysis of dimethyl and methyl phenyl phosphinic chlorides with anilines

H. Lee, Chan Kyung Kim, N. Dey, 2009 .

Kinetics and mechanism of the aminolysis of aryl phenyl chlorothiophosphates with anilines.

S. Dey, H. Lee, A. Guha, 2007, The Journal of organic chemistry.

Acyl-Transfer Mechanisms Involving Various Acyl Functional Groups: >XY with X = C, S, P and Y = O, S

Chang Kon Kim, Ikchoon Lee, Chan Kyung Kim, 2000 .

Theoretical studies on the gas‐phase pyrolysis of 2‐phenoxycarboxylic acids: An ONIOM approach

Ying Xue, Chan Kyung Kim, Chun Ho Kang, 2003, J. Comput. Chem..

Barrier widths, barrier heights, and the origins of anomalous kinetic H/D isotope effects

Chan Kyung Kim, S. Wolfe, K. Yang, 1990 .

Theoretical Study on the Pyrolysis of Sulphonyl Oximes in the Gas Phase

Ying Xue, Chan Kyung Kim, Kyung A Lee, 2003 .

Effects of entropy on the gas‐phase pyrolysis of ethyl N,N‐dimethylcarbamate

Chang Kon Kim, Hai Whang Lee, Chan Kyung Kim, 2007, J. Comput. Chem..

Ab initio studies of three‐membered ring formation through intramolecular nucleophilic substitution

Chang Kon Kim, Ikchoon Lee, Chan Kyung Kim, 1997 .

THEORETICAL STUDIES ON THE IMINIUM ION-FORMING REACTION

Chang Kon Kim, I. Lee, Ikchoon Lee, 1999 .

Theoretical study on the aminolysis of ester catalyzed by TBD: Hydrogen bonding or covalent bonding of the catalyst?

Ying Xue, Yong Wu, Chan Kyung Kim, 2010 .

Computational study on the aminolysis of beta-hydroxy-alpha,beta-unsaturated ester via the favorable path including the formation of alpha-oxo ketene intermediate.

Ying Xue, D. Xie, Hui Zhang, 2008, The journal of physical chemistry. A.

Theoretical studies on the chemical decomposition of 5-aza-2′-deoxycytidine: DFT study and Monte Carlo simulation

Jie Ying Gao, Xin Yang, Ying Xue, 2012, Theoretical Chemistry Accounts.

Prediction of physicochemical properties of organic molecules using van der Waals surface electrostatic potentials

Chang Kon Kim, H. Lee, Chan Kyung Kim, 2004, J. Comput. Chem..

Genetic Profile Analysis of a Patient with Metachronous Gastric Cancer with a Family History of Gastrointestinal Cancers

Chung Min Han, J. Oh, Chan Kyung Kim, 2017 .

Mechanism for the reaction of 2‐naphthol with N‐methyl‐N‐phenyl‐hydrazine suggested by the density functional theory investigations

Wei Chu, Ying Xue, Chan Kyung Kim, 2012, J. Comput. Chem..

Theoretical studies on the formation mechanism and explosive performance of nitro‐substituted 1,3,5‐triazines

Younghee Park, Hai Whang Lee, Chan Kyung Kim, 2010, J. Comput. Chem..

Density functional theory studies on the dissociation energies of metallic salts: relationship between lattice and dissociation energies

Chang Kon Kim, Chan Kyung Kim, Hoon Sik Kim, 2001, J. Comput. Chem..

Mechanism for the decomposition of 5-aza-2′-deoxycytidine: a theoretical study using Monte Carlo simulation plus local microhydration model

Jie Ying Gao, Ying Xue, Chan Kyung Kim, 2014, Theoretical Chemistry Accounts.

DFT Study on the Interaction of Subnanometer Cobalt Clusters with Pristine/Defective Graphene

Chan Kyung Kim, Nasir Shahzad, Jun Ren, 2019, Bulletin of the Korean Chemical Society.

Comprehensive studies on the tautomerization of glycine: a theoretical study.

Chang Kon Kim, H. Lee, Chan Kyung Kim, 2013, Organic & biomolecular chemistry.

Theoretical studies on the reaction of phosphoranes with anions

Ikchoon Lee, Chan Kyung Kim, T. Ha, 1993 .

Mechanistic Study on the Aminolysis of Chlorophosphates in Solvent: Concerted or Stepwise?

Hyeongjin Cho, Chan Kyung Kim, K. K. Adhikary, 2017 .

Structural understanding of quorum-sensing inhibitors by molecular modeling study in Pseudomonas aeruginosa

Joon-Hee Lee, Jeyong Yoon, Chan Kyung Kim, 2009, Applied Microbiology and Biotechnology.

Hydration of Formaldehyde in Water: Insight from ONIOM Study

Hui Zhang, Chan Kyung Kim, 2008 .

Ethylenedisalicylic Acid Derivatives as Dual Inhibitors of PTP1B and IKKβ and their Antiobesity and Antidiabetic Effects in Mice

Hyeongjin Cho, I. Han, Chan Kyung Kim, 2016 .

Mechanisms of norbornadiene dimerization to Binor‐S using cationic CoI, RhI, and IrI catalysts

Lu Jin, Ying Xue, Chan Kyung Kim, 2010, J. Comput. Chem..

Computational Study on Protolytic Dissociation of HCl and HF in Aqueous Solution

Chang Kon Kim, Chan Kyung Kim, B. Park, 2014 .

QSAR Studies on 6-Nitroquipazine Analogues as Serotonin Transporter

I. Lee, D. Chi, Chan Kyung Kim, 2006 .

Prediction of densities for solid energetic molecules with molecular surface electrostatic potentials

Chang Kon Kim, CHAN KYUNG KIM, SOO GYEONG CHO, 2008, J. Comput. Chem..

Theoretical studies on hetero Diels–Alder reactions of sulfur diimides

H. Lee, Ikchoon Lee, J. H. Lee, 2002 .

Examination of gaussian-type basis sets on alkali metal iodides

Chang Kon Kim, J. Won, Chan Kyung Kim, 2006 .

Theoretical Studies of Substituent and Solvent Effects on Protonation Equilibria of Benzaldehydes

Chang Kon Kim, Chan Kyung Kim, Ik-Mo Lee, 2000 .

3D‐QSAR Studies on DATAs and DAPYs for HIV‐RT Inhibitors using CoMFA and CoMSIA Approaches

Hui Zhang, Chan Kyung Kim, S. Ju, 2009 .

Docking and Virtual Screening Studies for New Leads of Boar Salivary Lipocalin

Chan Kyung Kim, N. Sung, H. Park, 2008 .

Docking Studies on Formylchromone Derivatives as Protein Tyrosine Phosphatase 1B (PTP1B) Inhibitors

Hyeongjin Cho, Hui Zhang, Chan Kyung Kim, 2007 .

Development of inhibitors against TraR quorum-sensing system in Agrobacterium tumefaciens by molecular modeling of the ligand-receptor interaction

Joon-Hee Lee, Jeyong Yoon, Hee-Jin Park, 2009, Molecules and cells.

Molecular modeling, synthesis, and screening of new bacterial quorumsensing antagonists.

Jeyong Yoon, R. McLean, Jongho Jeon, 2007, Journal of microbiology and biotechnology.

Modelling of catalytically oxidative decomposition of carbon tetrachloride on a ZnS nanocluster using density functional theory

X. Hou, Kailai Xu, Wei Zhu, 2014 .

Theoretical investigations on the methylation of NH bond using CO2 and hydrosilane catalyzed by ZincII complexes: Mechanism and ligand effect

Chan Kyung Kim, Weiyi Li, 2017 .

Formylchromone derivatives as irreversible and selective inhibitors of human protein tyrosine phosphatase 1B. Kinetic and modeling studies.

Hyeongjin Cho, Chan Kyung Kim, Keun-Hyeung Lee, 2005, Bioorganic & medicinal chemistry.

Virus Inactivation during the Manufacture of a Collagen Type I from Bovine Hides

I. Kim, Chan Kyung Kim, J. Bae, 2012 .

Insight into substituent effects on the hydrolysis of amidines by a microhydration model

Jie Ying Gao, Ying Xue, Ying Li, 2017, Theoretical Chemistry Accounts.

3D QSAR studies on cinnamaldehyde analogues as farnesyl protein transferase inhibitors

B. Kwon, Chan Kyung Kim, N. Sung, 2004, Archives of pharmacal research.

Re-examination of the π-Bond Energies in Doubly-Bonded Species: A Theoretical Study

Chang Kon Kim, Chan Kyung Kim, Jun-Xian Chen, 2010 .

A Theoretical Reexamination of the π‐Bond Strengths within the SiH2═XHn System

Hui Zhang, Chan Kyung Kim, Jun Li, 2015 .

Prediction of densities for solid energetic molecules with molecular surface electrostatic potentials

Chang Kon Kim, Hui Zhang, H. Lee, 2008, Journal of Computational Chemistry.

MSEP and CoMFA Studies on the Melting Points of Nitroaromatic Compounds

Chan Kyung Kim, B. Park, Jun Li, 2015 .

Prediction of Physicochemical Properties of Organic Molecules Using Semi-Empirical Methods

Chang Kon Kim, H. Lee, S. Cho, 2013 .

QSPR Studies on Impact Sensitivities of High Energy Density Molecules

Chang Kon Kim, H. Lee, S. Cho, 2011 .

DFT Study and Monte Carlo Simulation on the Aminolysis of XC(O)OCH3 (X = NH2, H, and CF3) with Monomeric and Dimeric Ammonias.

Ying Xue, Chan Kyung Kim, G. Yan, 2008, Journal of chemical theory and computation.